[1-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-1-oxidanylidene-butan-2-yl] 2-chloranylpyridine-3-carboxylate

Systemtic Name: [1-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-1-oxidanylidene-butan-2-yl] 2-chloranylpyridine-3-carboxylate Openeye Name: 1-[[4-(3-nitrophenyl)thiazol-2-yl]carbamoyl]propyl 2-chloropyridine-3-carboxylate CAS Name: 2-chloro-3-pyridinecarboxylic acid [1-[[4-(3-nitrophenyl)-2-thiazolyl]amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-1-oxobutan-2-yl] 2-chloropyridine-3-carboxylate Traditional Name: 2-chloronicotinic acid 1-[[4-(3-nitrophenyl)thiazol-2-yl]carbamoyl]propyl ester Formula: C19H15ClN4O5S MolecularWeight: 446.8642

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC(=CS1)C2=CC(=CC=C2)[N+](=O)[O-])OC(=O)C3=C(N=CC=C3)Cl

Isomeric SMILES

CCC(C(=O)NC1=NC(=CS1)C2=CC(=CC=C2)[N+](=O)[O-])OC(=O)C3=C(N=CC=C3)Cl

InChI

InChI=1S/C19H15ClN4O5S/c1-2-15(29-18(26)13-7-4-8-21-16(13)20)17(25)23-19-22-14(10-30-19)11-5-3-6-12(9-11)24(27)28/h3-10,15H,2H2,1H3,(H,22,23,25)